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4-Benzyl-2,8-dimethoxyisoquinolin-1(2H)-one
SpectraBase Compound ID CXLhVvEeaPt
InChI InChI=1S/C18H17NO3/c1-21-16-10-6-9-15-14(11-13-7-4-3-5-8-13)12-19(22-2)18(20)17(15)16/h3-10,12H,11H2,1-2H3
InChIKey PVZXKELXOZQXPH-UHFFFAOYSA-N
Mol Weight 295.34 g/mol
Molecular Formula C18H17NO3
Exact Mass 295.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5KZc1vg49nH
Name 4-Benzyl-2,8-dimethoxyisoquinolin-1(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 295.120843408 u
Formula C18H17NO3
InChI InChI=1S/C18H17NO3/c1-21-16-10-6-9-15-14(11-13-7-4-3-5-8-13)12-19(22-2)18(20)17(15)16/h3-10,12H,11H2,1-2H3
InChIKey PVZXKELXOZQXPH-UHFFFAOYSA-N
Instrument Name Finnigan SSQ Finnigan 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201710776
Quality 198
Reported Formula C18H17NO3
SMILES C1(=CC=CC=C1)CC1=CN(C(C2=C1C=CC=C2OC)=O)OC
SPLASH splash10-03xr-0290000000-72537d93d41ef69c4094
Source of Spectrum ACI-56-SM44-3sa (DOI: 10.1002/anie.201710776)
Wiley ID 1896664